5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

C19H13F2N3O2 — CID 55955783

IUPAC5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)oc2ccc(F)cc12
InChIInChI=1S/C19H13F2N3O2/c1-11-14-8-12(20)2-5-17(14)26-18(11)19(25)23-13-3-4-16(15(21)9-13)24-7-6-22-10-24/h2-10H,1H3,(H,23,25)
InChIKeyIFZKCKWVIKWXSB-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.46
Rot. Bonds3

About 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55955783) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55955783
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)oc2ccc(F)cc12
InChIInChI=1S/C19H13F2N3O2/c1-11-14-8-12(20)2-5-17(14)26-18(11)19(25)23-13-3-4-16(15(21)9-13)24-7-6-22-10-24/h2-10H,1H3,(H,23,25)
InChIKeyIFZKCKWVIKWXSB-UHFFFAOYSA-N
XLogP4.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 55955783) is 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IFZKCKWVIKWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c1-11-14-8-12(20)2-5-17(14)26-18(11)19(25)23-13-3-4-16(15(21)9-13)24-7-6-22-10-24/h2-10H,1H3,(H,23,25).
What are the key properties of 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55955783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).